Molecule FYI-1008860

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A

Molecule Summary:

ID: FYI-1008860
Names:
InChIKey: IVGQXKJMRMPVDP-UHFFFAOYSA-N
SMILES: CCOC(=O)Cc1nc(C)cc(C)n1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008860 Edit

Molecule Structure InChIKey: IVGQXKJMRMPVDP-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOC(=O)Cc1nc(C)cc(C)n1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008860
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 14  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008860-3D
FYIcenter.com

 28 28  0     0  0  0  0  0  0999 V2000
   -3.1061    0.0040    0.4003 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5551   -0.0506   -1.3063 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1484   -1.2044    0.3757 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1305    1.2054    0.3697 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8498   -0.0129    1.0222 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5829   -0.0032    0.5548 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4301   -1.1590   -0.0435 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4126    1.1768   -0.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1200    0.0135   -0.2745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8412   -0.0225   -0.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1119   -2.4683   -0.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0741    2.4947   -0.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1656   -0.0025   -0.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4927    0.0290    0.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0214   -0.9017    1.6400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0325    0.8768    1.6358 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1494    0.0203   -0.6117 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9869   -2.5548    0.3914 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4401   -3.3035   -0.0367 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4316   -2.5628   -1.3032 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3892    2.5886   -1.3193 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3908    3.3211   -0.0534 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9498    2.5977    0.3736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0770    0.8776   -1.2086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0994   -0.9105   -1.1718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3268    0.0249   -0.5415 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5883   -0.8358    0.8305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5663    0.9226    0.7943 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 13  1  0  0  0  0
  2 10  2  0  0  0  0
  3  6  1  0  0  0  0
  3  7  2  0  0  0  0
  4  6  2  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 17  1  0  0  0  0
 11 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-29, 136👍, 0💬